Molecule

ID:90391

General Information
Structure
MolImage
Molecular Formula
C₃H₁₂N₆O₃
Molecular Mass
180.16578
Exact Mass
180.09708827
Charge
0
InChI
InChI=1S/2CH5N3.CH2O3/c3*2-1(3)4/h2*(H5,2,3,4);(H2,2,3,4)
InChIKey
STIAPHVBRDNOAJ-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N.NC(=N)N.OC(=O)O
Isomeric Smiles
NC(=N)N.NC(=N)N.OC(=O)O
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.6522877
LogD (pH = 7.4)
-3.6514976
Log P
-1.236839
Molar Refractivity
25.8588
Polarizability
5.61125
Polar Surface Area
75.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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